Benzenoids
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3,4,5-Trifluorobenzonitrile 98.0+%, TCI America™
CAS: 134227-45-5 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.095 MDL Number: MFCD00074948 InChI Key: XFKYJMGXZXJYBS-UHFFFAOYSA-N Synonym: 3,4,5-trifluoro-1-cyano benzene,benzonitrile, 3,4,5-trifluoro,3,4,5-trifluoro-benzonitrile,3,4,5-trifluorobenzenecarbonitrile,pubchem1573,intermediates-zcf02038,acmc-1bz57,ksc493s4j,3,4,5-?trifluorobenzonitrile,3,4,5-trifluorobenzonitrile PubChem CID: 593814 IUPAC Name: 3,4,5-trifluorobenzonitrile SMILES: C1=C(C=C(C(=C1F)F)F)C#N
| PubChem CID | 593814 |
|---|---|
| CAS | 134227-45-5 |
| Molecular Weight (g/mol) | 157.095 |
| MDL Number | MFCD00074948 |
| SMILES | C1=C(C=C(C(=C1F)F)F)C#N |
| Synonym | 3,4,5-trifluoro-1-cyano benzene,benzonitrile, 3,4,5-trifluoro,3,4,5-trifluoro-benzonitrile,3,4,5-trifluorobenzenecarbonitrile,pubchem1573,intermediates-zcf02038,acmc-1bz57,ksc493s4j,3,4,5-?trifluorobenzonitrile,3,4,5-trifluorobenzonitrile |
| IUPAC Name | 3,4,5-trifluorobenzonitrile |
| InChI Key | XFKYJMGXZXJYBS-UHFFFAOYSA-N |
| Molecular Formula | C7H2F3N |
4-Chlorobenzaldehyde Diethyl Acetal 97.0+%, TCI America™
CAS: 2403-61-4 Molecular Formula: C11H15ClO2 Molecular Weight (g/mol): 214.69 MDL Number: MFCD08276331 InChI Key: GPLBEXMSGZWIPD-UHFFFAOYSA-N Synonym: 1-Chloro-4-(diethoxymethyl)benzene PubChem CID: 326160 IUPAC Name: 1-chloro-4-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=C(Cl)C=C1
| PubChem CID | 326160 |
|---|---|
| CAS | 2403-61-4 |
| Molecular Weight (g/mol) | 214.69 |
| MDL Number | MFCD08276331 |
| SMILES | CCOC(OCC)C1=CC=C(Cl)C=C1 |
| Synonym | 1-Chloro-4-(diethoxymethyl)benzene |
| IUPAC Name | 1-chloro-4-(diethoxymethyl)benzene |
| InChI Key | GPLBEXMSGZWIPD-UHFFFAOYSA-N |
| Molecular Formula | C11H15ClO2 |
2,3,4,5-Tetrafluorobenzyl Alcohol 98.0+%, TCI America™
CAS: 53072-18-7 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.102 MDL Number: MFCD01631452 InChI Key: HLUZGUMMQYQHKJ-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrafluorobenzyl alcohol,2,3,4,5-tetrafluorophenyl methanol,2,3,4,5-tetrafluorobenzylalcohol,benzenemethanol, 2,3,4,5-tetrafluoro,2,3,4,5-tetrafluorophenyl methan-1-ol,pubchem4660,benzenemethanol,2,3,4,5-tetrafluoro,2,3,4,5-tetrafluoro-phenyl-methanol PubChem CID: 2734080 IUPAC Name: (2,3,4,5-tetrafluorophenyl)methanol SMILES: C1=C(C(=C(C(=C1F)F)F)F)CO
| PubChem CID | 2734080 |
|---|---|
| CAS | 53072-18-7 |
| Molecular Weight (g/mol) | 180.102 |
| MDL Number | MFCD01631452 |
| SMILES | C1=C(C(=C(C(=C1F)F)F)F)CO |
| Synonym | 2,3,4,5-tetrafluorobenzyl alcohol,2,3,4,5-tetrafluorophenyl methanol,2,3,4,5-tetrafluorobenzylalcohol,benzenemethanol, 2,3,4,5-tetrafluoro,2,3,4,5-tetrafluorophenyl methan-1-ol,pubchem4660,benzenemethanol,2,3,4,5-tetrafluoro,2,3,4,5-tetrafluoro-phenyl-methanol |
| IUPAC Name | (2,3,4,5-tetrafluorophenyl)methanol |
| InChI Key | HLUZGUMMQYQHKJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |
Pentafluorophenylacetic Acid 98.0+%, TCI America™
CAS: 653-21-4 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.102 MDL Number: MFCD00004316 InChI Key: LGCODSNZJOVMHV-UHFFFAOYSA-N Synonym: pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid PubChem CID: 69553 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)acetic acid SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
| PubChem CID | 69553 |
|---|---|
| CAS | 653-21-4 |
| Molecular Weight (g/mol) | 226.102 |
| MDL Number | MFCD00004316 |
| SMILES | C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O |
| Synonym | pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid |
| IUPAC Name | 2-(2,3,4,5,6-pentafluorophenyl)acetic acid |
| InChI Key | LGCODSNZJOVMHV-UHFFFAOYSA-N |
| Molecular Formula | C8H3F5O2 |
4-Methoxyphenylacetonitrile 97.0+%, TCI America™
CAS: 104-47-2 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001919 InChI Key: PACGLQCRGWFBJH-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile PubChem CID: 66031 IUPAC Name: 2-(4-methoxyphenyl)acetonitrile SMILES: COC1=CC=C(C=C1)CC#N
| PubChem CID | 66031 |
|---|---|
| CAS | 104-47-2 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00001919 |
| SMILES | COC1=CC=C(C=C1)CC#N |
| Synonym | 4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile |
| IUPAC Name | 2-(4-methoxyphenyl)acetonitrile |
| InChI Key | PACGLQCRGWFBJH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
2,3,5,6-Tetrafluorobenzaldehyde 94.0+%, TCI America™
CAS: 19842-76-3 Molecular Formula: C7H2F4O Molecular Weight (g/mol): 178.086 MDL Number: MFCD00167387 InChI Key: YIRYOMXPMOLQSO-UHFFFAOYSA-N Synonym: benzaldehyde,2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoro-benzaldehyde,pubchem10080,1,2,4,5-tetrafluorobenzaldehyde,2,3,5,6-tetrafluorobenzaldehyde,benzaldehyde, 2,3,5,6-tetrafluoro,2,3,5,6-tetrakis fluoranyl benzaldehyde PubChem CID: 601331 IUPAC Name: 2,3,5,6-tetrafluorobenzaldehyde SMILES: C1=C(C(=C(C(=C1F)F)C=O)F)F
| PubChem CID | 601331 |
|---|---|
| CAS | 19842-76-3 |
| Molecular Weight (g/mol) | 178.086 |
| MDL Number | MFCD00167387 |
| SMILES | C1=C(C(=C(C(=C1F)F)C=O)F)F |
| Synonym | benzaldehyde,2,3,5,6-tetrafluoro,2,3,5,6-tetrafluoro-benzaldehyde,pubchem10080,1,2,4,5-tetrafluorobenzaldehyde,2,3,5,6-tetrafluorobenzaldehyde,benzaldehyde, 2,3,5,6-tetrafluoro,2,3,5,6-tetrakis fluoranyl benzaldehyde |
| IUPAC Name | 2,3,5,6-tetrafluorobenzaldehyde |
| InChI Key | YIRYOMXPMOLQSO-UHFFFAOYSA-N |
| Molecular Formula | C7H2F4O |
Fluoro(phenylthio)acetonitrile 97.0+%, TCI America™
CAS: 130612-84-9 Molecular Formula: C8H6FNS Molecular Weight (g/mol): 167.20 MDL Number: MFCD06797105 InChI Key: VAMSBCYZRBSCPJ-UHFFFAOYNA-N PubChem CID: 15634483 IUPAC Name: 2-fluoro-2-(phenylsulfanyl)acetonitrile SMILES: FC(SC1=CC=CC=C1)C#N
| PubChem CID | 15634483 |
|---|---|
| CAS | 130612-84-9 |
| Molecular Weight (g/mol) | 167.20 |
| MDL Number | MFCD06797105 |
| SMILES | FC(SC1=CC=CC=C1)C#N |
| IUPAC Name | 2-fluoro-2-(phenylsulfanyl)acetonitrile |
| InChI Key | VAMSBCYZRBSCPJ-UHFFFAOYNA-N |
| Molecular Formula | C8H6FNS |
9-Fluoreneacetic Acid 98.0+%, TCI America™
CAS: 6284-80-6 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.259 MDL Number: MFCD00013262 InChI Key: WFSMJMTYIMFHPV-UHFFFAOYSA-N Synonym: 9-fluoreneacetic acid,fluorene-9-acetic acid,9h-fluorene-9-acetic acid,2-9h-fluoren-9-yl acetic acid,9h-fluorene-9-aceticacid,9h-fluoren-9-ylacetic acid,chembl44381,2-fluoren-9-ylacetic acid,9-fluoreneacetate,9-fluorene acetic acid PubChem CID: 94852 IUPAC Name: 2-(9H-fluoren-9-yl)acetic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)CC(=O)O
| PubChem CID | 94852 |
|---|---|
| CAS | 6284-80-6 |
| Molecular Weight (g/mol) | 224.259 |
| MDL Number | MFCD00013262 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)CC(=O)O |
| Synonym | 9-fluoreneacetic acid,fluorene-9-acetic acid,9h-fluorene-9-acetic acid,2-9h-fluoren-9-yl acetic acid,9h-fluorene-9-aceticacid,9h-fluoren-9-ylacetic acid,chembl44381,2-fluoren-9-ylacetic acid,9-fluoreneacetate,9-fluorene acetic acid |
| IUPAC Name | 2-(9H-fluoren-9-yl)acetic acid |
| InChI Key | WFSMJMTYIMFHPV-UHFFFAOYSA-N |
| Molecular Formula | C15H12O2 |
Methyl 4-Methyl-3-nitrobenzoate 98.0+%, TCI America™
CAS: 7356-11-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00130054 InChI Key: YFPBHPCMYFCRKS-UHFFFAOYSA-N Synonym: methyl 3-nitro-4-methylbenzoate,4-methyl-3-nitrobenzoic acid methyl ester,benzoic acid, 4-methyl-3-nitro-, methyl ester,methyl 3-nitro-p-toluate,4-methyl-3-nitro-benzoic acid methyl ester,pubchem10934,acmc-1bfci,ksc497g4t,methyl4-methyl-3-nitrobenzoate,4-methoxycarbonyl-2-nitrotoluene PubChem CID: 81816 IUPAC Name: methyl 4-methyl-3-nitrobenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]
| PubChem CID | 81816 |
|---|---|
| CAS | 7356-11-8 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00130054 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-] |
| Synonym | methyl 3-nitro-4-methylbenzoate,4-methyl-3-nitrobenzoic acid methyl ester,benzoic acid, 4-methyl-3-nitro-, methyl ester,methyl 3-nitro-p-toluate,4-methyl-3-nitro-benzoic acid methyl ester,pubchem10934,acmc-1bfci,ksc497g4t,methyl4-methyl-3-nitrobenzoate,4-methoxycarbonyl-2-nitrotoluene |
| IUPAC Name | methyl 4-methyl-3-nitrobenzoate |
| InChI Key | YFPBHPCMYFCRKS-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline 98.0+%, TCI America™
CAS: 252049-05-1 Molecular Formula: C21H23NO4 Molecular Weight (g/mol): 353.42 MDL Number: MFCD01861326 InChI Key: HKELUUGCKFRJQM-IBGZPJMESA-N Synonym: fmoc-n-methyl-l-norvaline,fmoc-n-me-nva-oh,s-2-9h-fluoren-9-yl methoxy carbonyl methyl amino pentanoic acid,fmoc-n-me-l-2-aminovaleric acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl methyl amino pentanoic acid,l-norvaline, n-9h-fluoren-9-ylmethoxy carbonyl-n-methyl,l-norvaline,n-9h-fluoren-9-ylmethoxy carbonyl-n-methyl,fmoc-n-me-l-norvaline,n-fmoc-n-methyl-l-norvaline,fmoc-nalpha-methyl-l-norvaline PubChem CID: 7009909 IUPAC Name: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)pentanoic acid SMILES: CCC[C@H](N(C)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O
| PubChem CID | 7009909 |
|---|---|
| CAS | 252049-05-1 |
| Molecular Weight (g/mol) | 353.42 |
| MDL Number | MFCD01861326 |
| SMILES | CCC[C@H](N(C)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O |
| Synonym | fmoc-n-methyl-l-norvaline,fmoc-n-me-nva-oh,s-2-9h-fluoren-9-yl methoxy carbonyl methyl amino pentanoic acid,fmoc-n-me-l-2-aminovaleric acid,2s-2-9h-fluoren-9-ylmethoxy carbonyl methyl amino pentanoic acid,l-norvaline, n-9h-fluoren-9-ylmethoxy carbonyl-n-methyl,l-norvaline,n-9h-fluoren-9-ylmethoxy carbonyl-n-methyl,fmoc-n-me-l-norvaline,n-fmoc-n-methyl-l-norvaline,fmoc-nalpha-methyl-l-norvaline |
| IUPAC Name | (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)pentanoic acid |
| InChI Key | HKELUUGCKFRJQM-IBGZPJMESA-N |
| Molecular Formula | C21H23NO4 |
3,4-Dibromotoluene 98.0+%, TCI America™
CAS: 60956-23-2 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00079744 InChI Key: LDCPXNOCWDGYIU-UHFFFAOYSA-N Synonym: 3,4-dibromotoluene,benzene, 1,2-dibromo-4-methyl,3,4 dibromo toluene,benzene,1,2-dibromo-4-methyl,3,4-dibromtoluol,3,4 dibromotoluene,pubchem3930,acmc-1b64t,ksc493e6j PubChem CID: 34679 IUPAC Name: 1,2-dibromo-4-methylbenzene SMILES: CC1=CC(=C(C=C1)Br)Br
| PubChem CID | 34679 |
|---|---|
| CAS | 60956-23-2 |
| Molecular Weight (g/mol) | 249.933 |
| MDL Number | MFCD00079744 |
| SMILES | CC1=CC(=C(C=C1)Br)Br |
| Synonym | 3,4-dibromotoluene,benzene, 1,2-dibromo-4-methyl,3,4 dibromo toluene,benzene,1,2-dibromo-4-methyl,3,4-dibromtoluol,3,4 dibromotoluene,pubchem3930,acmc-1b64t,ksc493e6j |
| IUPAC Name | 1,2-dibromo-4-methylbenzene |
| InChI Key | LDCPXNOCWDGYIU-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2 |
sec-Butylbenzene 99.0+%, TCI America™
CAS: 135-98-8 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00009329 InChI Key: ZJMWRROPUADPEA-UHFFFAOYSA-N Synonym: sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene PubChem CID: 8680 ChEBI: CHEBI:35097 IUPAC Name: butan-2-ylbenzene SMILES: CCC(C)C1=CC=CC=C1
| PubChem CID | 8680 |
|---|---|
| CAS | 135-98-8 |
| Molecular Weight (g/mol) | 134.222 |
| ChEBI | CHEBI:35097 |
| MDL Number | MFCD00009329 |
| SMILES | CCC(C)C1=CC=CC=C1 |
| Synonym | sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene |
| IUPAC Name | butan-2-ylbenzene |
| InChI Key | ZJMWRROPUADPEA-UHFFFAOYSA-N |
| Molecular Formula | C10H14 |
Bis(triphenylphosphine)copper Tetrahydroborate 90.0+%, TCI America™
CAS: 16903-61-0 Molecular Formula: C36H34BCuP2 Molecular Weight (g/mol): 602.97 MDL Number: MFCD00013219 InChI Key: YVXRFTLDBYUBGJ-UHFFFAOYSA-N Synonym: bis triphenylphosphine copper tetrahydroborate,bis triphenylphosphine copper i borohydride,bis-triphenylphosphino-cuprous borohydride,tetrahydridoboratobis triphenylphosphine copper i,bis triphenylphosphine copper i tetrahydridoborate,bis triphenylphosphine copper tetrahydroborate,? pph3 2cubh4 PubChem CID: 10908163 IUPAC Name: λ¹-copper(1+) bis(triphenylphosphane) boranuide SMILES: [BH4-].[Cu+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 10908163 |
|---|---|
| CAS | 16903-61-0 |
| Molecular Weight (g/mol) | 602.97 |
| MDL Number | MFCD00013219 |
| SMILES | [BH4-].[Cu+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | bis triphenylphosphine copper tetrahydroborate,bis triphenylphosphine copper i borohydride,bis-triphenylphosphino-cuprous borohydride,tetrahydridoboratobis triphenylphosphine copper i,bis triphenylphosphine copper i tetrahydridoborate,bis triphenylphosphine copper tetrahydroborate,? pph3 2cubh4 |
| IUPAC Name | λ¹-copper(1+) bis(triphenylphosphane) boranuide |
| InChI Key | YVXRFTLDBYUBGJ-UHFFFAOYSA-N |
| Molecular Formula | C36H34BCuP2 |
N-Fluorobenzenesulfonimide 97.0+%, TCI America™
CAS: 133745-75-2 Molecular Formula: C12H10FNO4S2 Molecular Weight (g/mol): 315.333 MDL Number: MFCD00144885 InChI Key: RLKHFSNWQCZBDC-UHFFFAOYSA-N Synonym: n-fluorobenzenesulfonimide,nfsi,n-fluoro-n-phenylsulfonyl benzenesulfonamide,n-fluorodibenzenesulfonimide,n-fluorobenzensulfonimide,n-fluorobenzenesulphonimide,accufluor nfsi,n-fluorodi benzenesulfonyl amine,bis phenylsulfonyl fluoroamine,n-fluorobis phenylsulfonyl amine PubChem CID: 588007 IUPAC Name: N-(benzenesulfonyl)-N-fluorobenzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2
| PubChem CID | 588007 |
|---|---|
| CAS | 133745-75-2 |
| Molecular Weight (g/mol) | 315.333 |
| MDL Number | MFCD00144885 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N(F)S(=O)(=O)C2=CC=CC=C2 |
| Synonym | n-fluorobenzenesulfonimide,nfsi,n-fluoro-n-phenylsulfonyl benzenesulfonamide,n-fluorodibenzenesulfonimide,n-fluorobenzensulfonimide,n-fluorobenzenesulphonimide,accufluor nfsi,n-fluorodi benzenesulfonyl amine,bis phenylsulfonyl fluoroamine,n-fluorobis phenylsulfonyl amine |
| IUPAC Name | N-(benzenesulfonyl)-N-fluorobenzenesulfonamide |
| InChI Key | RLKHFSNWQCZBDC-UHFFFAOYSA-N |
| Molecular Formula | C12H10FNO4S2 |
Methyl 2-Methyl-3-nitrobenzoate 98.0+%, TCI America™
CAS: 59382-59-1 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00082564 InChI Key: CRZGFIMLHZTLGT-UHFFFAOYSA-N Synonym: benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate PubChem CID: 601165 IUPAC Name: methyl 2-methyl-3-nitrobenzoate SMILES: COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O
| PubChem CID | 601165 |
|---|---|
| CAS | 59382-59-1 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00082564 |
| SMILES | COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O |
| Synonym | benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate |
| IUPAC Name | methyl 2-methyl-3-nitrobenzoate |
| InChI Key | CRZGFIMLHZTLGT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |